4-methoxy-3-(quinolin-2-ylmethoxy)aniline

• ChemBase ID: 269749
• Molecular Formular: C17H16N2O2
• Molecular Mass: 280.32114
• Monoisotopic Mass: 280.12117776
• SMILES: n1c2c(ccc1COc1cc(N)ccc1OC)cccc2
• Canonical SMILES: COc1ccc(cc1OCc1ccc2c(n1)cccc2)N
• InChI: InChI=1S/C17H16N2O2/c1-20-16-9-7-13(18)10-17(16)21-11-14-8-6-12-4-2-3-5-15(12)19-14/h2-10H,11,18H2,1H3
• InChIKey: CWXMAMANXYYOFO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxy-3-(quinolin-2-ylmethoxy)aniline
• IUPAC Traditional name: 4-methoxy-3-(quinolin-2-ylmethoxy)aniline
• Synonyms: 4-methoxy-3-(quinolin-2-ylmethoxy)aniline

Database IDs

• MDL Number: MFCD13621299
• PubChem SID: 164325659
• PubChem CID: 28773263

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.7386906
• LogD (pH = 7.4): 2.7918572
• Log P: 2.792577
• Molar Refractivity: 81.6965 cm^3
• Polarizability: 32.741844 Å^3
• Polar Surface Area: 57.37 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 106 - 108°C
• Hydrophobicity(logP): 2.339

Product Information

• Purity: 95%